6'-methylspiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine

C18H19NO — CID 114709631

IUPAC6'-methylspiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine
SMILESCc1ccc2c(c1)C(N)CC1(Cc3ccccc3C1)O2
InChIInChI=1S/C18H19NO/c1-12-6-7-17-15(8-12)16(19)11-18(20-17)9-13-4-2-3-5-14(13)10-18/h2-8,16H,9-11,19H2,1H3
InChIKeyISKQGJXRHMVFEY-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.31
Rot. Bonds

About 6'-methylspiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine

6'-methylspiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine (PubChem CID 114709631) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 6'-methylspiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine.

Molecular Properties

Compound Name6'-methylspiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine
PubChem CID114709631
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name6'-methylspiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine
SMILESCc1ccc2c(c1)C(N)CC1(Cc3ccccc3C1)O2
InChIInChI=1S/C18H19NO/c1-12-6-7-17-15(8-12)16(19)11-18(20-17)9-13-4-2-3-5-14(13)10-18/h2-8,16H,9-11,19H2,1H3
InChIKeyISKQGJXRHMVFEY-UHFFFAOYSA-N
XLogP3.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 103565913
spiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine
CID 114709400
1',6-dimethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 72698320
(4R)-6-methylspiro[3,4-dihydrochromene-2,3'-oxane]-4-amine
CID 104946649
(4S)-1',6-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104946467
(4S)-1',1',5',6-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine
CID 104946445
2,6-dimethyl-2-(2-phenylethyl)-3,4-dihydrochromen-4-amine
CID 114709726
(4S)-1'-cyclopropyl-6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104946423
(4S)-6-methyl-3'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946481
1'-ethyl-6-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 114709709
(4R)-6-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104946535
(4R)-2',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 104946615

Frequently Asked Questions

What is the IUPAC name of 6'-methylspiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine?
The IUPAC name of 6'-methylspiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine (CID 114709631) is 6'-methylspiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine.
What is the SMILES notation for 6'-methylspiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine?
The canonical SMILES for 6'-methylspiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine is Cc1ccc2c(c1)C(N)CC1(Cc3ccccc3C1)O2.
What is the InChIKey of 6'-methylspiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine?
The InChIKey is ISKQGJXRHMVFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-12-6-7-17-15(8-12)16(19)11-18(20-17)9-13-4-2-3-5-14(13)10-18/h2-8,16H,9-11,19H2,1H3.
What are the key properties of 6'-methylspiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine?
6'-methylspiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine has a molecular weight of 265.36 g/mol, XLogP of 3.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-methylspiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine is sourced from PubChem (CID 114709631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).